ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C11H11BrN2O4S3 — CID 61456143

IUPACethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2sccc2Br)n1
InChIInChI=1S/C11H11BrN2O4S3/c1-2-18-9(15)5-7-6-20-11(13-7)14-21(16,17)10-8(12)3-4-19-10/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyZWLQFYZNHVRQRR-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.87
Rot. Bonds6

About ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 61456143) has the molecular formula C11H11BrN2O4S3 and a molecular weight of 411.32 g/mol. Its IUPAC name is ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID61456143
Molecular FormulaC11H11BrN2O4S3
Molecular Weight411.32 g/mol
Exact Mass409.91
IUPAC Nameethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2sccc2Br)n1
InChIInChI=1S/C11H11BrN2O4S3/c1-2-18-9(15)5-7-6-20-11(13-7)14-21(16,17)10-8(12)3-4-19-10/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyZWLQFYZNHVRQRR-UHFFFAOYSA-N
XLogP2.87
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
ethyl 2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10202501
sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
CID 174221224
ethyl 2-[2-[(4-cyanophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10269387
ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624476
ethyl 2-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10294454
ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 10199594
ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 108802089
ethyl 2-[2-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 2810603
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 16874821
ethyl 2-[2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 42285440

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 61456143) is ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2sccc2Br)n1.
What is the InChIKey of ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZWLQFYZNHVRQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4S3/c1-2-18-9(15)5-7-6-20-11(13-7)14-21(16,17)10-8(12)3-4-19-10/h3-4,6H,2,5H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 411.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 61456143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).